N-cyclooctyl-1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-cyclooctyl-1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-cyclooctyl-1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-cyclooctyl-1-[[1-(2-methoxyethyl)-5-benzotriazolyl]sulfonyl]-2-pyrrolidinecarboxamide IUPAC Name: N-cyclooctyl-1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonylpyrrolidine-2-carboxamide Traditional Name: N-cyclooctyl-1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonyl-pyrrolidine-2-carboxamide Formula: C22H33N5O4S MolecularWeight: 463.59352

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)NC4CCCCCCC4)N=N1

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)NC4CCCCCCC4)N=N1

InChI

InChI=1S/C22H33N5O4S/c1-31-15-14-26-20-12-11-18(16-19(20)24-25-26)32(29,30)27-13-7-10-21(27)22(28)23-17-8-5-3-2-4-6-9-17/h11-12,16-17,21H,2-10,13-15H2,1H3,(H,23,28)